ethyl 3-(1,3-benzodioxol-5-yl)-5-(4-ethoxy-3-fluoranyl-phenyl)-3,4-dihydro-2H-pyrrole-4-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-5-(4-ethoxy-3-fluoranyl-phenyl)-3,4-dihydro-2H-pyrrole-4-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-5-(4-ethoxy-3-fluoro-phenyl)-3,4-dihydro-2H-pyrrole-4-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(4-ethoxy-3-fluorophenyl)-3,4-dihydro-2H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-5-(4-ethoxy-3-fluorophenyl)-3,4-dihydro-2H-pyrrole-4-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(4-ethoxy-3-fluoro-phenyl)-1-pyrroline-3-carboxylic acid ethyl ester Formula: C22H22FNO5 MolecularWeight: 399.412183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NCC(C2C(=O)OCC)C3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NCC(C2C(=O)OCC)C3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C22H22FNO5/c1-3-26-17-7-6-14(9-16(17)23)21-20(22(25)27-4-2)15(11-24-21)13-5-8-18-19(10-13)29-12-28-18/h5-10,15,20H,3-4,11-12H2,1-2H3